Methyltrioctylammonium chloride

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

05-02-2018 – 09-02-2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test result performed using standard test guidelines

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Principles of method if other than guideline:

The water solubility determination of test item Methyltrioctylammonium chloride (CAS No. 5137-55-3) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101.

GLP compliance:

not specified

Type of method:

other: by spectrophotometric analytical method

Specific details on test material used for the study:

- Name of test material: Methyltrioctylammonium chloride
- IUPAC name: Methyltrioctyl ammonium chloride
- Molecular formula: C25H54ClN
- Molecular weight: 404.162 g/mole
- Smiles :[N+](CCCCCCCC)(CCCCCCCC)(CCCCCCCC)C.[ClH-]
- Inchl: 1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Viscous liquid (yellow to yellowish brown)
- Purity: not less than 90.0%

Key result

Water solubility:

21.053 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: no other details mentioned

WATER SOLUBILITY: PRELIMINARY TEST

0.1g of test item was taken in 100 ml beaker. DI water was added in increasing amount in sequence of 0.1 ml, 0.5 ml, 1.0 ml,

2.0 ml, 10.0 ml and 100.0 ml with intermediate stirring.

For poorly soluble substances: Preliminary water solubility of test item was found 0.1g in > 100 ml DI water. For analytical

determination 0.1 g of test item was dissolved in 100 ml of DI water. The solution was kept for 24 hrs on stirring and absorbance was recorded. Concentration detected on the basis of standard curve was 37.1381 mg/L. Five times the concentration recorded from preliminary solubility was used for confirmatory study.

WATER SOLUBILITY: CONFIRMATORY TEST

Five times the concentration recorded from preliminary solubility = 37.1381 mg/L × 5 = 185.691 mg/L was used for

confirmatory study. Two separate solution of 18.5691 mg in 100 ml DI water were prepared and kept for stirring for 48 hrs and

72 hrs. After the completion of stirring period the absorbance for all the two solution were recorded and concentration was

detected on the basis of standard curve. Table 2 refers to the same.

Sample stirring	Concentration obtained on the basis of standard curve	Dilution factor	Solubility value obtained (mg/L)
24 hour	-	-	-
48 hour	21.9321 mg/L	-	21.9321 mg/L
72 hour	20.1754 mg/L	-	20.1754 mg/L

  Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows: Mean water solubility value for 48 hour run sample + 72 hour run sample

=(21.9321+20.1754)/2

=21.0533 mg/L

Conclusions:

The water solubility for the test item Methyltrioctylammonium chloride was found to be 21.0533 mg/L at 25°C.

Executive summary:

The water solubility determination of test item Methyltrioctylammonium chloride (CAS No. 5137-55-3) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (Methyltrioctylammonium chloride of CAS No: 5137-55-3) in water was found to be 21.0533 mg/L at 25°C.

Based on the experimental value, the test substance Methyltrioctylammonium chloride was considered to be slightly soluble in water.

Description of key information

The water solubility for the test item Methyltrioctylammonium chloride was found to be 21.0533 mg/L at 25°C.

Key value for chemical safety assessment

Water solubility:

21.053 mg/L

at the temperature of:

25 °C

Additional information

The water solubility determination of test item Methyltrioctylammonium chloride (CAS No. 5137-55-3) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (Methyltrioctylammonium chloride of CAS No: 5137-55-3) in water was found to be 21.0533 mg/L at 25°C.

Based on the experimental value, the test substance Methyltrioctylammonium chloride was considered to be slightly soluble in water.